4ONU

cAMP-binding acyltransferase from Mycobacterium smegmatis, E234A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-07-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97500
Spacegroup name	P 21 21 21
Unit cell lengths	38.318, 82.764, 105.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.250
R-factor	0.2061
Rwork	0.200
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oll
RMSD bond length	0.014
RMSD bond angle	1.682
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.300
High resolution limit [Å]	2.250	5.550	2.250
Rmerge	0.111	0.076	0.655
Number of reflections	16630
<I/σ(I)>	8
Completeness [%]	99.7	99.8	100
Redundancy	12.7	11.7	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG 3350, NaCl, Bis-Tris, CaCl2, DAPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K